SCHEMBL21141309

SCHEMBL21141309

CC(CCN)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOB P27338 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 3/20 0.50
NPC1 O15118 1/20 0.50
PPARG P37231 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9128648 0.85 ALDH1A1 (0.71) HTTALDH1A1KDM4EMAPTLMNA
SCHEMBL24386414 0.85 HTT (0.58) HTTALDH1A1KDM4EMAPTLMNA
SCHEMBL21141312 0.84 ALDH1A1 (0.74) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL21141304 0.83 HPGD (0.69) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL13767830 0.81 HTT (0.72) HTTALDH1A1KDM4EMAPTLMNA
SCHEMBL24175872 0.81 HTT (0.72) HTTALDH1A1KDM4EMAPTLMNA
SCHEMBL16127374 0.81 ALDH1A1 (0.65) HTTALDH1A1KDM4EMAPTLMNA
SCHEMBL13753184 0.80 HTT (0.53) HTTALDH1A1KDM4EMAPTLMNA
SCHEMBL21141297 0.79 KDM4E (0.58) HTTCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL21141301 0.78 RAB9A (0.56) HTTALDH1A1MAPTLMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10646850-B2 Material for blood purification TORAY INDUSTRIES, INC. (JP) 2020-05-12 US disclosed
US-20190184371-A1 MATERIAL FOR BLOOD PURIFICATION TORAY INDUSTRIES, INC. (JP) 2019-06-20 US disclosed